1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide

C24H19F3N4O3 — CID 90039308

IUPAC1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)NC3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)ccc21
InChIInChI=1S/C24H19F3N4O3/c1-31-19-9-4-15(13-16(19)14-29-31)22(32)30-23(10-12-33-20-3-2-11-28-21(20)23)17-5-7-18(8-6-17)34-24(25,26)27/h2-9,11,13-14H,10,12H2,1H3,(H,30,32)
InChIKeyQVJVBRHKLRIVGZ-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.32
Rot. Bonds4

About 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide

1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide (PubChem CID 90039308) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide
PubChem CID90039308
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)NC3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)ccc21
InChIInChI=1S/C24H19F3N4O3/c1-31-19-9-4-15(13-16(19)14-29-31)22(32)30-23(10-12-33-20-3-2-11-28-21(20)23)17-5-7-18(8-6-17)34-24(25,26)27/h2-9,11,13-14H,10,12H2,1H3,(H,30,32)
InChIKeyQVJVBRHKLRIVGZ-UHFFFAOYSA-N
XLogP4.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide (CID 90039308) is 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide is Cn1ncc2cc(C(=O)NC3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)ccc21.
What is the InChIKey of 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide?
The InChIKey is QVJVBRHKLRIVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-31-19-9-4-15(13-16(19)14-29-31)22(32)30-23(10-12-33-20-3-2-11-28-21(20)23)17-5-7-18(8-6-17)34-24(25,26)27/h2-9,11,13-14H,10,12H2,1H3,(H,30,32).
What are the key properties of 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide?
1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide is sourced from PubChem (CID 90039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).